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Compile Data Set for Download or QSAR

Found 1681 hits with Last Name = 'palombella' and Initial = 'vj'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in C5a-stimulated mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Smoothened homolog


(Homo sapiens (Human))
BDBM50293788
PNG
(CHEMBL538867 | N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S...)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31|
Show InChI InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine


J Med Chem 52: 4400-18 (2009)


Article DOI: 10.1021/jm900305z
BindingDB Entry DOI: 10.7270/Q2CC10QM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192889
PNG
(CHEMBL3975359)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H20N6O2/c1-3-17-9-7-10-18-15-20(32(26(34)21(17)18)19-11-5-4-6-12-19)16(2)29-25(33)22-23(27)30-31-14-8-13-28-24(22)31/h1,4-16H,2H3,(H2,27,30)(H,29,33)/t16-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192882
PNG
(CHEMBL3937119)
Show SMILES CC#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C27H22N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h4-8,10-17H,1-2H3,(H2,28,31)(H,30,34)/t17-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192899
PNG
(CHEMBL3963736)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H19ClN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192883
PNG
(CHEMBL3976330)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H19FN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192901
PNG
(CHEMBL3911278)
Show SMILES C[C@H](NC(=O)c1c(N)ncc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H20ClN5O2/c1-15(31-25(33)22-23-17(8-6-12-29-23)14-30-24(22)28)20-13-16-7-5-11-19(27)21(16)26(34)32(20)18-9-3-2-4-10-18/h2-15H,1H3,(H2,28,30)(H,31,33)/t15-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192885
PNG
(CHEMBL3923629 | US10329299, Compound 54 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cscn3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H21N7O2S/c1-18(33-28(37)25-26(30)34-35-14-6-13-31-27(25)35)23-15-20-8-5-7-19(11-12-21-16-39-17-32-21)24(20)29(38)36(23)22-9-3-2-4-10-22/h2-10,13-18H,1H3,(H2,30,34)(H,33,37)/t18-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192881
PNG
(CHEMBL3914602 | US10329299, Compound 30 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccn(C)n3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C30H24N8O2/c1-19(33-29(39)26-27(31)35-37-16-7-15-32-28(26)37)24-18-21-9-6-8-20(12-13-22-14-17-36(2)34-22)25(21)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,33,39)/t19-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192888
PNG
(CHEMBL3947903)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22N6O2/c1-15-8-6-9-17-14-19(31(25(33)20(15)17)18-10-4-3-5-11-18)16(2)28-24(32)21-22(26)29-30-13-7-12-27-23(21)30/h3-14,16H,1-2H3,(H2,26,29)(H,28,32)/t16-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192909
PNG
(CHEMBL3921445 | US10329299, Compound 41 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncs3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H21N7O2S/c1-18(33-28(37)25-26(30)34-35-14-6-13-32-27(25)35)23-15-20-8-5-7-19(11-12-22-16-31-17-39-22)24(20)29(38)36(23)21-9-3-2-4-10-21/h2-10,13-18H,1H3,(H2,30,34)(H,33,37)/t18-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192895
PNG
(CHEMBL3928146 | US10329299, Compound 17 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cccnc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C31H23N7O2/c1-20(35-30(39)27-28(32)36-37-17-7-16-34-29(27)37)25-18-23-10-5-9-22(14-13-21-8-6-15-33-19-21)26(23)31(40)38(25)24-11-3-2-4-12-24/h2-12,15-20H,1H3,(H2,32,36)(H,35,39)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192892
PNG
(CHEMBL3966879 | US10329299, Compound 5 | US1067528...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C32H24N6O2/c1-21(35-31(39)28-29(33)36-37-19-9-18-34-30(28)37)26-20-24-13-8-12-23(17-16-22-10-4-2-5-11-22)27(24)32(40)38(26)25-14-6-3-7-15-25/h2-15,18-21H,1H3,(H2,33,36)(H,35,39)/t21-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192891
PNG
(CHEMBL3959293)
Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H21ClN6O2/c1-2-18(29-24(33)21-22(27)30-31-13-7-12-28-23(21)31)19-14-15-8-6-11-17(26)20(15)25(34)32(19)16-9-4-3-5-10-16/h3-14,18H,2H2,1H3,(H2,27,30)(H,29,33)/t18-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192894
PNG
(CHEMBL3893430 | US10329299, Compound 32 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccn3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C31H23N7O2/c1-20(35-30(39)27-28(32)36-37-18-8-17-34-29(27)37)25-19-22-10-7-9-21(14-15-23-11-5-6-16-33-23)26(22)31(40)38(25)24-12-3-2-4-13-24/h2-13,16-20H,1H3,(H2,32,36)(H,35,39)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in IgM-stimulated human Raji cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by sti...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192897
PNG
(CHEMBL3944056)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#N)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H19N7O2/c1-15(29-24(33)21-22(27)30-31-12-6-11-28-23(21)31)19-13-16-7-5-8-17(14-26)20(16)25(34)32(19)18-9-3-2-4-10-18/h2-13,15H,1H3,(H2,27,30)(H,29,33)/t15-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in AKT phosphorylation at S473 after 30 mins by ELISA


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human SKOV-3 cells assessed as reduction in AKT phosphorylation at S473 after 30 mins by ELISA


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192892
PNG
(CHEMBL3966879 | US10329299, Compound 5 | US1067528...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C32H24N6O2/c1-21(35-31(39)28-29(33)36-37-19-9-18-34-30(28)37)26-20-24-13-8-12-23(17-16-22-10-4-2-5-11-22)27(24)32(40)38(26)25-14-6-3-7-15-25/h2-15,18-21H,1H3,(H2,33,36)(H,35,39)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192900
PNG
(CHEMBL3917188 | US10919914, Compound 31)
Show SMILES C[C@H](NC(=O)c1c(N)nn2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H20ClN5O2/c1-15(28-24(32)22-19-12-5-6-13-30(19)29-23(22)27)20-14-16-8-7-11-18(26)21(16)25(33)31(20)17-9-3-2-4-10-17/h2-15H,1H3,(H2,27,29)(H,28,32)/t15-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192901
PNG
(CHEMBL3911278)
Show SMILES C[C@H](NC(=O)c1c(N)ncc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H20ClN5O2/c1-15(31-25(33)22-23-17(8-6-12-29-23)14-30-24(22)28)20-13-16-7-5-11-19(27)21(16)26(34)32(20)18-9-3-2-4-10-18/h2-15H,1H3,(H2,28,30)(H,31,33)/t15-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192886
PNG
(CHEMBL3946030 | US10329299, Compound 70 | US106752...)
Show SMILES C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C27H24N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h3-17H,1-2H3,(H2,28,31)(H,30,34)/b9-3+/t17-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192911
PNG
(CHEMBL3955769 | US10329299, Compound 26 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccncc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C31H23N7O2/c1-20(35-30(39)27-28(32)36-37-18-6-15-34-29(27)37)25-19-23-8-5-7-22(12-11-21-13-16-33-17-14-21)26(23)31(40)38(25)24-9-3-2-4-10-24/h2-10,13-20H,1H3,(H2,32,36)(H,35,39)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192908
PNG
(CHEMBL3895629 | US10329299, Compound 59 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3nccs3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H21N7O2S/c1-18(33-28(37)25-26(30)34-35-15-6-13-32-27(25)35)22-17-20-8-5-7-19(11-12-23-31-14-16-39-23)24(20)29(38)36(22)21-9-3-2-4-10-21/h2-10,13-18H,1H3,(H2,30,34)(H,33,37)/t18-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192890
PNG
(CHEMBL3908224)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H18ClN5O2/c1-15(28-23(31)18-14-27-29-12-6-11-26-22(18)29)20-13-16-7-5-10-19(25)21(16)24(32)30(20)17-8-3-2-4-9-17/h2-15H,1H3,(H,28,31)/t15-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192899
PNG
(CHEMBL3963736)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H19ClN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192883
PNG
(CHEMBL3976330)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H19FN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192891
PNG
(CHEMBL3959293)
Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H21ClN6O2/c1-2-18(29-24(33)21-22(27)30-31-13-7-12-28-23(21)31)19-14-15-8-6-11-17(26)20(15)25(34)32(19)16-9-4-3-5-10-16/h3-14,18H,2H2,1H3,(H2,27,30)(H,29,33)/t18-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192889
PNG
(CHEMBL3975359)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H20N6O2/c1-3-17-9-7-10-18-15-20(32(26(34)21(17)18)19-11-5-4-6-12-19)16(2)29-25(33)22-23(27)30-31-14-8-13-28-24(22)31/h1,4-16H,2H3,(H2,27,30)(H,29,33)/t16-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192890
PNG
(CHEMBL3908224)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H18ClN5O2/c1-15(28-23(31)18-14-27-29-12-6-11-26-22(18)29)20-13-16-7-5-10-19(25)21(16)24(32)30(20)17-8-3-2-4-9-17/h2-15H,1H3,(H,28,31)/t15-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192884
PNG
(CHEMBL3978650)
Show SMILES C[C@H](NC(=O)c1cncc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H19ClN4O2/c1-16(30-25(32)20-15-28-14-18-8-6-12-29-24(18)20)22-13-17-7-5-11-21(27)23(17)26(33)31(22)19-9-3-2-4-10-19/h2-16H,1H3,(H,30,32)/t16-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50192882
PNG
(CHEMBL3937119)
Show SMILES CC#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C27H22N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h4-8,10-17H,1-2H3,(H2,28,31)(H,30,34)/t17-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192896
PNG
(CHEMBL3916095)
Show SMILES COc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C25H22N6O3/c1-15(28-24(32)21-22(26)29-30-13-7-12-27-23(21)30)18-14-16-8-6-11-19(34-2)20(16)25(33)31(18)17-9-4-3-5-10-17/h3-15H,1-2H3,(H2,26,29)(H,28,32)/t15-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192884
PNG
(CHEMBL3978650)
Show SMILES C[C@H](NC(=O)c1cncc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H19ClN4O2/c1-16(30-25(32)20-15-28-14-18-8-6-12-29-24(18)20)22-13-17-7-5-11-21(27)23(17)26(33)31(22)19-9-3-2-4-10-19/h2-16H,1H3,(H,30,32)/t16-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192910
PNG
(CHEMBL3983349)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(N(C)C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C26H25N7O2/c1-16(29-25(34)22-23(27)30-32-14-8-13-28-24(22)32)20-15-17-9-7-12-19(31(2)3)21(17)26(35)33(20)18-10-5-4-6-11-18/h4-16H,1-3H3,(H2,27,30)(H,29,34)/t16-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192893
PNG
(CHEMBL3954718)
Show SMILES CNc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C25H23N7O2/c1-15(29-24(33)21-22(26)30-31-13-7-12-28-23(21)31)19-14-16-8-6-11-18(27-2)20(16)25(34)32(19)17-9-4-3-5-10-17/h3-15,27H,1-2H3,(H2,26,30)(H,29,33)/t15-/m0/s1
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342550
PNG
(US10329299, Compound 101 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1C |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-3.79,1.15,;-2.29,1.47,;-1.81,2.94,;-.3,3.26,;.73,2.11,;.17,4.72,;-.73,5.97,;-2.27,5.97,;.17,7.21,;1.64,6.74,;2.97,7.51,;4.3,6.74,;4.3,5.2,;2.97,4.43,;1.64,5.2,;-1.26,.33,;.25,.65,;1.28,-.5,;2.79,-.17,;3.82,-1.32,;3.34,-2.78,;1.84,-3.1,;1.36,-4.57,;.88,-6.03,;.41,-7.5,;-1.06,-7.97,;-1.06,-9.51,;.41,-9.99,;.88,-11.45,;1.31,-8.74,;.81,-1.96,;-.7,-2.28,;-1.18,-3.74,;-1.73,-1.14,;-3.24,-1.46,;-4.27,-.31,;-5.77,-.63,;-6.25,-2.1,;-5.22,-3.24,;-3.71,-2.92,;-2.68,-4.06,)|
Show InChI InChI=1S/C31H24N8O2/c1-19-8-4-5-11-24(19)39-25(20(2)35-30(40)27-28(32)36-38-15-7-14-33-29(27)38)16-23-10-6-9-22(26(23)31(39)41)13-12-21-17-34-37(3)18-21/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342550
PNG
(US10329299, Compound 101 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1C |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-3.79,1.15,;-2.29,1.47,;-1.81,2.94,;-.3,3.26,;.73,2.11,;.17,4.72,;-.73,5.97,;-2.27,5.97,;.17,7.21,;1.64,6.74,;2.97,7.51,;4.3,6.74,;4.3,5.2,;2.97,4.43,;1.64,5.2,;-1.26,.33,;.25,.65,;1.28,-.5,;2.79,-.17,;3.82,-1.32,;3.34,-2.78,;1.84,-3.1,;1.36,-4.57,;.88,-6.03,;.41,-7.5,;-1.06,-7.97,;-1.06,-9.51,;.41,-9.99,;.88,-11.45,;1.31,-8.74,;.81,-1.96,;-.7,-2.28,;-1.18,-3.74,;-1.73,-1.14,;-3.24,-1.46,;-4.27,-.31,;-5.77,-.63,;-6.25,-2.1,;-5.22,-3.24,;-3.71,-2.92,;-2.68,-4.06,)|
Show InChI InChI=1S/C31H24N8O2/c1-19-8-4-5-11-24(19)39-25(20(2)35-30(40)27-28(32)36-38-15-7-14-33-29(27)38)16-23-10-6-9-22(26(23)31(39)41)13-12-21-17-34-37(3)18-21/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342550
PNG
(US10329299, Compound 101 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1C |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-3.79,1.15,;-2.29,1.47,;-1.81,2.94,;-.3,3.26,;.73,2.11,;.17,4.72,;-.73,5.97,;-2.27,5.97,;.17,7.21,;1.64,6.74,;2.97,7.51,;4.3,6.74,;4.3,5.2,;2.97,4.43,;1.64,5.2,;-1.26,.33,;.25,.65,;1.28,-.5,;2.79,-.17,;3.82,-1.32,;3.34,-2.78,;1.84,-3.1,;1.36,-4.57,;.88,-6.03,;.41,-7.5,;-1.06,-7.97,;-1.06,-9.51,;.41,-9.99,;.88,-11.45,;1.31,-8.74,;.81,-1.96,;-.7,-2.28,;-1.18,-3.74,;-1.73,-1.14,;-3.24,-1.46,;-4.27,-.31,;-5.77,-.63,;-6.25,-2.1,;-5.22,-3.24,;-3.71,-2.92,;-2.68,-4.06,)|
Show InChI InChI=1S/C31H24N8O2/c1-19-8-4-5-11-24(19)39-25(20(2)35-30(40)27-28(32)36-38-15-7-14-33-29(27)38)16-23-10-6-9-22(26(23)31(39)41)13-12-21-17-34-37(3)18-21/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342551
PNG
(US10329299, Compound 102 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342551
PNG
(US10329299, Compound 102 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342551
PNG
(US10329299, Compound 102 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342552
PNG
(US10329299, Compound 103 | US10675286, Compound 10...)
Show SMILES CC(C)n1c(cc2cccc(C#Cc3cnn(C)c3)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;$|
Show InChI InChI=1S/C27H24N8O2/c1-16(2)35-21(17(3)31-26(36)23-24(28)32-34-12-6-11-29-25(23)34)13-20-8-5-7-19(22(20)27(35)37)10-9-18-14-30-33(4)15-18/h5-8,11-17H,1-4H3,(H,31,36)/t17-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342552
PNG
(US10329299, Compound 103 | US10675286, Compound 10...)
Show SMILES CC(C)n1c(cc2cccc(C#Cc3cnn(C)c3)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;$|
Show InChI InChI=1S/C27H24N8O2/c1-16(2)35-21(17(3)31-26(36)23-24(28)32-34-12-6-11-29-25(23)34)13-20-8-5-7-19(22(20)27(35)37)10-9-18-14-30-33(4)15-18/h5-8,11-17H,1-4H3,(H,31,36)/t17-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342552
PNG
(US10329299, Compound 103 | US10675286, Compound 10...)
Show SMILES CC(C)n1c(cc2cccc(C#Cc3cnn(C)c3)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;$|
Show InChI InChI=1S/C27H24N8O2/c1-16(2)35-21(17(3)31-26(36)23-24(28)32-34-12-6-11-29-25(23)34)13-20-8-5-7-19(22(20)27(35)37)10-9-18-14-30-33(4)15-18/h5-8,11-17H,1-4H3,(H,31,36)/t17-/m0/s1
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US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342553
PNG
(US10329299, Compound 104 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342553
PNG
(US10329299, Compound 104 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342553
PNG
(US10329299, Compound 104 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
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